Basic information
- CAS
58903-57-4- Standard SMILES
c1ccc2c(NCCCNc3c4ccccc4nc4ccccc34)c3ccccc3nc2c1- InChIKey
RLOKQEOHNQQWOA-UHFFFAOYSA-N- Molecular formula
- C29H24N4
- Average molar mass
- 428.5 g/mol
- Monoisotopic mass
- 428.20009678
Names & identifiers
- Preferred name
- Acridine, 9.9'-trimethylenedi(imino)bis-
- IUPAC
- N,N'-di(acridin-9-yl)propane-1,3-diamine
Names & synonyms
BRN 05022361,3-Propanediamine, N,N'-bis(9-acridinyl)-ACRIDINE, 9.9'-TRIMETHYLENEDI(IMINO)BIS-N,N'-Di(9-acridyl)-1,3-diaminopropane58903-57-4DTXSID20207650RefChem:317156DTXCID70130141N,N'-di(acridin-9-yl)propane-1,3-diamineSCHEMBL7869214CHEMBL4785970RLOKQEOHNQQWOA-UHFFFAOYSA-N
Show more names
STK727014AKOS005525340N,N'-Di-acridin-9-yl-propane-1,3-diamineN1,N3-di(acridin-9-yl)propane-1,3-diamineN~1~,N~3~-Di(acridin-9-yl)propane-1,3-diamine
Database identifiers
- CAS
58903-57-4- PubChem CID
- 42877
- DTXSID
DTXSID20207650- ChEMBL
CHEMBL4785970- Nikkaji
- J66.948B
Properties
Computed structural properties
- XLogP
- 7.2
- Topological polar surface area
- 49.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 529
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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